1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Openeye Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C17H23ClN4O3S MolecularWeight: 398.90752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C17H23ClN4O3S/c1-20-9-6-19-17(20)13-21-7-3-8-22(11-10-21)26(23,24)16-12-14(18)4-5-15(16)25-2/h4-6,9,12H,3,7-8,10-11,13H2,1-2H3